#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3eky s GLN 2 N 0.00 3.42 -0.17 0.54 0.74 -1.26 -5.11 119.66 117.81 3eky s GLN 2 Ca 0.00 -0.66 0.01 0.00 0.05 0.00 0.00 55.36 54.76 3eky s GLN 2 Cb 0.00 -2.70 0.02 0.00 1.10 0.00 0.00 33.01 31.43 3eky s GLN 2 CO 0.00 0.18 -0.19 0.42 -0.55 0.00 0.00 175.29 175.15 3eky s ILE 3 N 0.46 1.95 0.81 -2.34 1.01 -1.26 -5.12 121.20 116.70 3eky s ILE 3 Ca -0.08 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 59.60 3eky s ILE 3 Cb -0.15 -1.77 0.13 0.00 0.01 0.00 0.00 42.46 40.67 3eky s ILE 3 CO 0.04 0.52 1.14 0.42 0.00 0.00 0.00 174.94 177.07 3eky s THR 4 N 1.33 2.11 -0.12 2.92 -4.23 -1.26 -5.04 115.64 111.36 3eky s THR 4 Ca 0.05 -0.20 0.15 0.00 -1.18 0.00 0.00 61.69 60.50 3eky s THR 4 Cb -0.13 -2.91 0.28 0.00 1.34 0.00 0.00 72.50 71.08 3eky s THR 4 CO -0.12 0.00 1.14 0.18 -0.54 0.00 0.00 174.62 175.28 3eky n LEU 5 N -3.26 1.96 0.25 4.79 4.77 -1.26 -4.57 117.00 119.69 3eky n LEU 5 Ca 0.12 -2.86 0.15 0.00 -0.03 0.00 0.00 56.01 53.38 3eky n LEU 5 Cb 0.60 -0.36 0.52 0.00 -2.33 0.00 0.00 43.42 41.86 3eky n LEU 5 CO 0.49 0.77 0.91 -0.50 -1.33 0.00 0.00 177.39 177.73 3eky h TRP 6 N 0.28 0.00 -2.10 -1.77 6.55 -2.07 -3.43 115.95 113.41 3eky h TRP 6 Ca -0.01 0.00 -0.59 0.00 0.95 0.00 0.00 58.89 59.23 3eky h TRP 6 Cb 1.12 0.00 -0.12 0.00 -0.86 0.00 0.00 29.16 29.30 3eky h TRP 6 CO 0.19 0.05 -0.69 0.15 -1.05 0.00 0.00 178.44 177.09 3eky s LYS 7 N -3.55 1.92 0.23 0.49 -0.14 -1.26 -5.11 119.74 112.33 3eky s LYS 7 Ca 0.02 -1.72 -0.32 0.00 -1.36 0.00 0.00 55.97 52.60 3eky s LYS 7 Cb 0.08 -1.88 -0.12 0.00 -1.68 0.00 0.00 37.83 34.23 3eky s LYS 7 CO 0.59 0.26 1.65 0.54 -0.76 0.00 0.00 175.35 177.63 3eky n ARG 8 N -0.78 2.64 -1.63 1.68 1.74 -1.26 -4.86 116.66 114.18 3eky n ARG 8 Ca -0.05 0.95 -0.42 0.00 -0.77 0.00 0.00 57.85 57.55 3eky n ARG 8 Cb 0.61 -2.75 -0.01 0.00 -1.02 0.00 0.00 32.46 29.28 3eky n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3eky n PRO 9 N 3.18 2.52 -3.11 5.56 -0.04 -1.26 -4.93 135.00 136.93 3eky n PRO 9 Ca 0.13 -2.45 -0.39 0.00 -0.04 0.00 0.00 63.50 60.75 3eky n PRO 9 Cb 0.35 -3.22 -0.06 0.00 -0.04 0.00 0.00 33.50 30.53 3eky n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3eky s LEU 10 N 2.17 4.53 0.10 1.53 1.43 -1.26 -1.22 118.68 125.95 3eky s LEU 10 Ca 0.50 1.42 0.02 0.00 -1.03 0.00 0.00 54.13 55.04 3eky s LEU 10 Cb 0.13 -3.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 3eky s LEU 10 CO -0.03 0.19 -0.07 0.68 0.23 0.00 0.00 176.35 177.34 3eky s VAL 11 N -0.82 0.76 0.05 -1.59 -7.23 0.06 -4.94 120.40 106.69 3eky s VAL 11 Ca 0.33 -1.84 -0.30 0.00 -1.81 0.00 0.00 61.98 58.36 3eky s VAL 11 Cb -0.21 -1.57 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 3eky s VAL 11 CO 0.22 -0.78 1.00 -0.89 -0.31 0.00 0.00 175.10 174.34 3eky s THR 12 N -3.26 4.61 0.18 5.32 2.01 -1.26 -1.25 115.64 121.98 3eky s THR 12 Ca 0.10 1.97 0.11 0.00 0.31 0.00 0.00 61.69 64.18 3eky s THR 12 Cb 0.03 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 3eky s THR 12 CO -0.03 0.21 -0.24 0.27 -0.69 0.00 0.00 174.62 174.14 3eky s ILE 13 N 0.62 2.24 -0.16 1.82 -4.36 0.51 -2.03 121.20 119.85 3eky s ILE 13 Ca 0.51 -1.95 -0.00 0.00 -0.26 0.00 0.00 60.65 58.94 3eky s ILE 13 Cb -0.23 -2.04 -0.01 0.00 1.25 0.00 0.00 42.46 41.43 3eky s ILE 13 CO 0.29 -0.10 -0.13 -0.60 0.24 0.00 0.00 174.94 174.64 3eky s ARG 14 N -2.55 3.29 -0.14 0.37 3.52 -0.19 -1.50 118.95 121.75 3eky s ARG 14 Ca 0.18 -0.71 -0.08 0.00 -0.13 0.00 0.00 55.73 54.99 3eky s ARG 14 Cb -0.08 -2.68 0.05 0.00 -1.56 0.00 0.00 34.95 30.68 3eky s ARG 14 CO 0.09 0.05 0.34 -1.50 -0.81 0.00 0.00 175.30 173.47 3eky s ILE 15 N 0.75 -0.03 -1.31 4.11 2.07 -0.16 -1.25 121.20 125.39 3eky s ILE 15 Ca -0.06 0.11 -0.05 0.00 -1.41 0.00 0.00 60.65 59.24 3eky s ILE 15 Cb -0.15 -0.51 0.03 0.00 0.13 0.00 0.00 42.46 41.96 3eky s ILE 15 CO 0.01 0.04 0.34 0.61 -1.91 0.00 0.00 174.94 174.04 3eky n GLY 16 N 4.13 -0.50 3.03 1.50 0.00 -1.26 -1.18 105.19 110.91 3eky n GLY 16 Ca -0.23 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3eky n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3eky n GLY 17 N -1.14 1.54 3.60 -0.02 0.00 -1.26 -5.03 105.19 102.88 3eky n GLY 17 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 3eky n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3eky s GLN 18 N -0.02 2.31 -0.08 1.61 -1.52 -0.32 -5.11 119.66 116.54 3eky s GLN 18 Ca 0.00 -0.91 -0.10 0.00 -1.95 0.00 0.00 55.36 52.39 3eky s GLN 18 Cb 0.00 -2.39 -0.05 0.00 -0.22 0.00 0.00 33.01 30.35 3eky s GLN 18 CO 0.00 0.54 0.25 -0.51 -0.25 0.00 0.00 175.29 175.32 3eky s LEU 19 N -1.98 4.41 0.11 2.90 1.43 -1.26 -0.98 118.68 123.30 3eky s LEU 19 Ca 0.21 0.66 -0.08 0.00 -1.03 0.00 0.00 54.13 53.88 3eky s LEU 19 Cb -0.11 -2.29 -0.01 0.00 0.03 0.00 0.00 46.19 43.82 3eky s LEU 19 CO 0.13 0.35 0.20 -0.54 0.23 0.00 0.00 176.35 176.72 3eky s LYS 20 N -0.92 0.91 -0.12 1.70 1.02 -0.57 -4.99 119.74 116.78 3eky s LYS 20 Ca 0.18 -1.03 -0.05 0.00 0.02 0.00 0.00 55.97 55.08 3eky s LYS 20 Cb -0.14 0.34 -0.04 0.00 -0.52 0.00 0.00 37.83 37.48 3eky s LYS 20 CO 0.07 -0.30 0.09 -1.21 -0.92 0.00 0.00 175.35 173.08 3eky s GLU 21 N -3.89 3.38 0.03 1.68 0.41 -1.26 -0.36 118.70 118.67 3eky s GLU 21 Ca 0.08 -0.25 -0.06 0.00 -0.41 0.00 0.00 54.97 54.34 3eky s GLU 21 Cb 0.05 -3.07 -0.01 0.00 -1.78 0.00 0.00 34.13 29.32 3eky s GLU 21 CO -0.08 0.68 0.12 0.00 -0.49 0.00 0.00 175.26 175.49 3eky s ALA 22 N -0.78 -0.18 -0.25 5.21 0.00 -0.38 -4.50 121.76 120.87 3eky s ALA 22 Ca 0.13 -0.38 -0.13 0.00 0.00 0.00 0.00 51.96 51.58 3eky s ALA 22 Cb -0.12 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 3eky s ALA 22 CO 0.03 -0.28 0.28 -1.17 0.00 0.00 0.00 175.76 174.61 3eky s LEU 23 N -1.84 4.09 -0.45 0.00 2.96 0.73 -0.76 118.68 123.41 3eky s LEU 23 Ca -0.09 0.23 -0.28 0.00 -0.22 0.00 0.00 54.13 53.77 3eky s LEU 23 Cb -0.04 -2.29 0.01 0.00 0.50 0.00 0.00 46.19 44.38 3eky s LEU 23 CO -0.02 -0.05 1.43 -0.76 -1.32 0.00 0.00 176.35 175.62 3eky s LEU 24 N 1.50 3.53 -0.35 -0.68 1.43 -0.36 -0.29 118.68 123.46 3eky s LEU 24 Ca 0.12 0.69 0.02 0.00 -1.03 0.00 0.00 54.13 53.93 3eky s LEU 24 Cb -0.15 -3.40 0.11 0.00 0.03 0.00 0.00 46.19 42.77 3eky s LEU 24 CO 0.08 -1.53 0.10 -0.62 0.23 0.00 0.00 176.35 174.61 3eky s ASP 25 N 4.17 4.41 0.43 2.29 -1.08 -0.32 -4.79 116.67 121.77 3eky s ASP 25 Ca 0.59 -2.10 0.30 0.00 -0.52 0.00 0.00 52.55 50.82 3eky s ASP 25 Cb -0.13 -1.34 1.22 0.00 -1.46 0.00 0.00 42.92 41.21 3eky s ASP 25 CO 0.31 -0.37 1.88 0.71 0.52 0.00 0.00 175.17 178.21 3eky h THR 26 N 6.37 0.00 -0.26 1.71 1.35 -1.93 -2.67 112.91 117.48 3eky h THR 26 Ca -0.07 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 3eky h THR 26 Cb 1.00 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 3eky h THR 26 CO 0.52 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.40 3eky n GLY 27 N 0.02 0.37 3.35 5.82 0.00 -1.26 -4.82 105.19 108.68 3eky n GLY 27 Ca 0.01 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 3eky n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3eky s ALA 28 N -1.66 2.89 0.23 4.61 0.00 -1.01 -4.99 121.76 121.83 3eky s ALA 28 Ca 0.26 -1.12 -0.06 0.00 0.00 0.00 0.00 51.96 51.04 3eky s ALA 28 Cb 0.13 -1.74 0.22 0.00 0.00 0.00 0.00 23.12 21.73 3eky s ALA 28 CO 0.19 -0.36 1.78 -0.44 0.00 0.00 0.00 175.76 176.93 3eky h ASP 29 N 7.96 1.02 -2.08 0.00 5.19 -1.87 0.73 116.42 127.37 3eky h ASP 29 Ca -0.39 -0.17 -0.59 0.00 -0.62 0.00 0.00 57.03 55.26 3eky h ASP 29 Cb 1.17 -0.27 -0.11 0.00 0.18 0.00 0.00 39.33 40.30 3eky h ASP 29 CO 0.60 0.93 -0.67 -1.81 -3.12 0.00 0.00 179.24 175.17 3eky s ASP 30 N -6.43 4.08 -0.22 6.45 1.01 -1.26 -3.11 116.67 117.19 3eky s ASP 30 Ca -0.12 -0.92 -0.13 0.00 0.71 0.00 0.00 52.55 52.09 3eky s ASP 30 Cb 0.16 -0.54 -0.05 0.00 1.01 0.00 0.00 42.92 43.50 3eky s ASP 30 CO 0.83 -0.10 0.25 -0.89 0.21 0.00 0.00 175.17 175.48 3eky s THR 31 N -2.47 5.30 -0.09 -1.27 2.01 -1.26 -3.23 115.64 114.63 3eky s THR 31 Ca 0.32 0.39 -0.01 0.00 0.31 0.00 0.00 61.69 62.71 3eky s THR 31 Cb -0.03 -3.59 0.03 0.00 0.01 0.00 0.00 72.50 68.92 3eky s THR 31 CO 0.18 0.32 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.69 3eky s VAL 32 N 1.10 0.78 0.15 3.82 1.01 -0.68 -0.75 120.40 125.83 3eky s VAL 32 Ca 0.12 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.03 3eky s VAL 32 Cb -0.14 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 3eky s VAL 32 CO 0.05 0.32 -0.03 -0.76 0.00 0.00 0.00 175.10 174.69 3eky s LEU 33 N 1.74 3.25 0.85 3.92 1.43 0.99 -0.38 118.68 130.48 3eky s LEU 33 Ca 0.04 -0.37 -0.13 0.00 -1.03 0.00 0.00 54.13 52.64 3eky s LEU 33 Cb -0.13 -1.95 0.08 0.00 0.03 0.00 0.00 46.19 44.23 3eky s LEU 33 CO -0.06 0.12 1.03 -0.62 0.23 0.00 0.00 176.35 177.05 3eky n GLU 34 N 0.18 -0.04 -1.63 1.70 1.02 -1.26 -1.56 120.64 119.05 3eky n GLU 34 Ca -0.11 0.06 -0.51 0.00 -0.02 0.00 0.00 57.16 56.58 3eky n GLU 34 Cb 0.54 -2.30 -0.06 0.00 -0.02 0.00 0.00 31.44 29.61 3eky n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3eky n GLU 35 N -3.12 1.44 -3.87 3.49 1.02 -1.11 -4.52 120.64 113.97 3eky n GLU 35 Ca 0.12 0.52 -0.07 0.00 -0.02 0.00 0.00 57.16 57.71 3eky n GLU 35 Cb 0.51 -2.21 -0.02 0.00 -0.02 0.00 0.00 31.44 29.70 3eky n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3eky s MET 36 N 1.20 1.78 -0.00 3.49 0.23 -1.26 -5.01 119.30 119.73 3eky s MET 36 Ca 0.86 -1.01 -0.18 0.00 -1.03 0.00 0.00 55.69 54.32 3eky s MET 36 Cb -0.89 0.60 -0.06 0.00 -1.53 0.00 0.00 34.83 32.95 3eky s MET 36 CO 0.48 -0.81 0.50 -0.80 -2.03 0.00 0.00 175.02 172.36 3eky s ASN 37 N -2.93 6.89 0.02 -1.18 0.02 -1.26 -5.03 114.94 111.46 3eky s ASN 37 Ca 0.12 1.05 0.00 0.00 -1.02 0.00 0.00 52.86 53.02 3eky s ASN 37 Cb -0.06 -2.31 -0.01 0.00 0.02 0.00 0.00 41.25 38.89 3eky s ASN 37 CO 0.07 0.20 -0.03 -0.76 0.02 0.00 0.00 177.10 176.60 3eky s LEU 38 N -0.56 2.17 0.73 0.60 1.43 -1.26 -5.01 118.68 116.77 3eky s LEU 38 Ca 0.27 -0.35 -0.13 0.00 -1.03 0.00 0.00 54.13 52.89 3eky s LEU 38 Cb -0.17 0.02 0.03 0.00 0.03 0.00 0.00 46.19 46.10 3eky s LEU 38 CO 0.15 -0.19 1.11 -2.16 0.23 0.00 0.00 176.35 175.49 3eky s PRO 39 N -1.02 2.43 0.00 1.29 0.04 -1.26 -4.91 135.00 131.57 3eky s PRO 39 Ca -0.10 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.27 3eky s PRO 39 Cb -0.07 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.56 3eky s PRO 39 CO -0.01 -1.53 0.00 0.41 0.04 0.00 0.00 177.00 175.91 3eky n GLY 40 N -0.71 0.27 3.69 0.56 0.00 -1.26 -4.95 105.19 102.79 3eky n GLY 40 Ca 0.10 -1.95 -0.39 0.00 0.00 0.00 0.00 46.02 43.78 3eky n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3eky s LYS 41 N -1.42 4.31 0.15 1.61 2.20 -1.26 -5.07 119.74 120.27 3eky s LYS 41 Ca 0.00 0.63 0.03 0.00 -0.36 0.00 0.00 55.97 56.27 3eky s LYS 41 Cb 0.00 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.79 3eky s LYS 41 CO 0.00 -0.03 0.24 1.67 -0.36 0.00 0.00 175.35 176.87 3eky s TRP 42 N 1.21 3.39 -0.14 4.03 1.48 -1.26 -4.69 118.94 122.96 3eky s TRP 42 Ca 0.30 0.08 -0.02 0.00 -1.06 0.00 0.00 56.10 55.40 3eky s TRP 42 Cb -0.16 -1.62 -0.02 0.00 -1.16 0.00 0.00 33.47 30.51 3eky s TRP 42 CO 0.12 0.52 -0.09 -1.59 -4.06 0.00 0.00 176.95 171.85 3eky s LYS 43 N -3.21 3.52 0.32 3.25 0.00 -0.49 -4.86 119.74 118.27 3eky s LYS 43 Ca 0.34 -0.61 -0.29 0.00 0.00 0.00 0.00 55.97 55.41 3eky s LYS 43 Cb -0.11 -2.76 -0.11 0.00 0.00 0.00 0.00 37.83 34.85 3eky s LYS 43 CO 0.27 0.23 1.47 -2.14 0.00 0.00 0.00 175.35 175.17 3eky s PRO 44 N 0.36 4.19 0.19 1.78 0.02 -1.26 -0.28 135.00 139.99 3eky s PRO 44 Ca -0.08 2.45 -0.11 0.00 0.02 0.00 0.00 61.00 63.29 3eky s PRO 44 Cb -0.15 -3.03 -0.00 0.00 0.02 0.00 0.00 34.50 31.34 3eky s PRO 44 CO 0.04 -0.47 0.35 0.15 -0.33 0.00 0.00 177.00 176.75 3eky s LYS 45 N -1.31 1.27 0.00 5.54 1.02 -0.64 -4.88 119.74 120.74 3eky s LYS 45 Ca 0.56 -1.17 0.06 0.00 0.02 0.00 0.00 55.97 55.44 3eky s LYS 45 Cb -0.45 0.41 -0.02 0.00 -0.52 0.00 0.00 37.83 37.26 3eky s LYS 45 CO 0.54 -0.49 -0.18 -1.64 -0.92 0.00 0.00 175.35 172.65 3eky s MET 46 N -3.97 1.41 0.10 1.68 -1.94 -1.26 -0.57 119.30 114.75 3eky s MET 46 Ca 0.18 -0.71 0.05 0.00 -1.71 0.00 0.00 55.69 53.51 3eky s MET 46 Cb 0.02 -1.40 -0.04 0.00 2.01 0.00 0.00 34.83 35.43 3eky s MET 46 CO 0.02 0.38 -0.13 0.96 -0.01 0.00 0.00 175.02 176.23 3eky s ILE 47 N -0.53 1.20 0.09 2.53 -4.36 -0.80 -4.98 121.20 114.35 3eky s ILE 47 Ca 0.07 -1.60 0.07 0.00 -0.26 0.00 0.00 60.65 58.92 3eky s ILE 47 Cb -0.07 -1.39 -0.03 0.00 1.25 0.00 0.00 42.46 42.22 3eky s ILE 47 CO -0.00 -0.40 -0.19 -0.83 0.24 0.00 0.00 174.94 173.76 3eky s GLY 48 N -2.28 1.11 0.00 6.27 0.00 -1.26 -0.99 107.32 110.16 3eky s GLY 48 Ca 0.06 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.62 3eky s GLY 48 CO 0.02 -1.16 0.00 0.61 0.00 0.00 0.00 173.10 172.58 3eky n GLY 49 N 1.21 4.93 3.74 0.20 0.00 -0.56 -4.98 105.19 109.72 3eky n GLY 49 Ca -0.20 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 3eky n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3eky s ILE 50 N 0.47 3.61 0.00 -0.61 1.01 -1.26 -2.67 121.20 121.75 3eky s ILE 50 Ca 0.00 1.37 0.00 0.00 0.00 0.00 0.00 60.65 62.02 3eky s ILE 50 Cb 0.00 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.60 3eky s ILE 50 CO 0.00 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.78 3eky n GLY 51 N 2.10 1.53 0.00 6.18 0.00 -1.26 -4.97 105.19 108.78 3eky n GLY 51 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3eky n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3eky n GLY 52 N -2.00 0.13 3.74 -0.02 0.00 -1.09 -5.06 105.19 100.89 3eky n GLY 52 Ca 0.00 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 3eky n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3eky s PHE 53 N 0.00 3.11 0.17 1.61 0.40 -1.26 -1.49 117.98 120.52 3eky s PHE 53 Ca 0.00 0.04 0.06 0.00 -0.60 0.00 0.00 56.93 56.43 3eky s PHE 53 Cb 0.00 -1.59 -0.05 0.00 0.51 0.00 0.00 43.02 41.89 3eky s PHE 53 CO 0.00 0.50 -0.12 0.96 0.70 0.00 0.00 175.22 177.27 3eky s ILE 54 N -1.34 1.37 -0.11 0.64 -4.36 -0.16 -4.99 121.20 112.25 3eky s ILE 54 Ca 0.27 -2.12 -0.18 0.00 -0.26 0.00 0.00 60.65 58.37 3eky s ILE 54 Cb -0.12 -1.92 -0.04 0.00 1.25 0.00 0.00 42.46 41.62 3eky s ILE 54 CO 0.20 -0.69 0.45 -0.54 0.24 0.00 0.00 174.94 174.60 3eky s LYS 55 N -3.71 4.31 0.27 0.37 1.02 -1.26 -1.90 119.74 118.84 3eky s LYS 55 Ca 0.19 0.41 0.03 0.00 0.02 0.00 0.00 55.97 56.62 3eky s LYS 55 Cb 0.01 -3.42 -0.06 0.00 -0.52 0.00 0.00 37.83 33.85 3eky s LYS 55 CO 0.03 0.20 0.04 0.14 -0.92 0.00 0.00 175.35 174.84 3eky s VAL 56 N 0.50 1.01 -0.24 3.17 -7.23 0.27 -4.38 120.40 113.50 3eky s VAL 56 Ca 0.25 -2.02 -0.06 0.00 -1.81 0.00 0.00 61.98 58.35 3eky s VAL 56 Cb -0.15 -2.58 -0.01 0.00 0.56 0.00 0.00 36.38 34.20 3eky s VAL 56 CO 0.10 -0.13 0.02 -0.13 -0.31 0.00 0.00 175.10 174.64 3eky s ARG 57 N -3.91 3.46 -0.30 4.82 0.52 0.12 -1.62 118.95 122.03 3eky s ARG 57 Ca 0.34 -0.59 -0.19 0.00 -0.52 0.00 0.00 55.73 54.77 3eky s ARG 57 Cb 0.07 -3.18 -0.01 0.00 0.52 0.00 0.00 34.95 32.35 3eky s ARG 57 CO 0.12 -0.22 0.54 -1.14 0.02 0.00 0.00 175.30 174.63 3eky s GLN 58 N 1.54 3.88 -0.16 3.54 0.74 0.61 -1.00 119.66 128.80 3eky s GLN 58 Ca 0.06 0.15 -0.05 0.00 0.05 0.00 0.00 55.36 55.57 3eky s GLN 58 Cb -0.15 -3.72 -0.03 0.00 1.10 0.00 0.00 33.01 30.20 3eky s GLN 58 CO 0.00 -0.51 0.00 0.71 -0.55 0.00 0.00 175.29 174.94 3eky s TYR 59 N 2.42 3.11 0.12 1.67 1.51 -0.17 -1.39 117.35 124.62 3eky s TYR 59 Ca 0.21 -0.15 0.01 0.00 -1.01 0.00 0.00 57.07 56.14 3eky s TYR 59 Cb -0.15 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.66 3eky s TYR 59 CO 0.11 0.05 0.26 -0.51 -1.11 0.00 0.00 175.55 174.35 3eky s ASP 60 N 0.34 6.35 -1.30 2.29 1.01 -1.26 -0.75 116.67 123.34 3eky s ASP 60 Ca -0.01 0.22 -0.03 0.00 0.71 0.00 0.00 52.55 53.44 3eky s ASP 60 Cb -0.13 -1.93 0.01 0.00 1.01 0.00 0.00 42.92 41.87 3eky s ASP 60 CO 0.02 0.09 0.89 1.67 0.21 0.00 0.00 175.17 178.05 3eky n GLN 61 N -0.26 -5.92 -3.56 8.23 7.27 -1.11 -4.91 117.38 117.12 3eky n GLN 61 Ca -0.06 0.72 -0.38 0.00 0.07 0.00 0.00 57.00 57.35 3eky n GLN 61 Cb 0.53 -5.53 -0.10 0.00 2.41 0.00 0.00 30.24 27.55 3eky n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3eky s ILE 62 N -3.48 5.29 0.14 1.69 -1.09 -0.01 -4.70 121.20 119.03 3eky s ILE 62 Ca 0.15 0.28 -0.31 0.00 -2.23 0.00 0.00 60.65 58.54 3eky s ILE 62 Cb -0.07 -3.57 -0.08 0.00 -1.58 0.00 0.00 42.46 37.16 3eky s ILE 62 CO 0.78 0.25 1.37 -2.84 -1.23 0.00 0.00 174.94 173.28 3eky s PRO 63 N 1.63 4.33 -0.02 2.79 0.02 -1.26 -1.73 135.00 140.76 3eky s PRO 63 Ca 0.09 2.08 0.02 0.00 0.02 0.00 0.00 61.00 63.22 3eky s PRO 63 Cb -0.15 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.14 3eky s PRO 63 CO 0.09 -0.40 -0.07 0.42 -0.33 0.00 0.00 177.00 176.71 3eky s ILE 64 N 0.84 0.60 -0.32 2.83 1.01 0.11 -4.42 121.20 121.84 3eky s ILE 64 Ca 0.63 -0.28 -0.13 0.00 0.00 0.00 0.00 60.65 60.87 3eky s ILE 64 Cb -0.37 -0.54 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 3eky s ILE 64 CO 0.32 0.19 0.24 -0.70 0.00 0.00 0.00 174.94 175.00 3eky s GLU 65 N 0.12 3.63 -0.36 2.79 2.12 -0.38 -0.77 118.70 125.86 3eky s GLU 65 Ca -0.01 -0.53 -0.06 0.00 0.36 0.00 0.00 54.97 54.73 3eky s GLU 65 Cb -0.06 -3.77 0.06 0.00 0.26 0.00 0.00 34.13 30.62 3eky s GLU 65 CO -0.00 -0.38 0.13 0.42 -0.54 0.00 0.00 175.26 174.89 3eky s ILE 66 N 1.77 3.70 -1.47 -3.70 1.01 0.68 -1.02 121.20 122.16 3eky s ILE 66 Ca 0.07 -1.33 -0.06 0.00 0.00 0.00 0.00 60.65 59.34 3eky s ILE 66 Cb -0.17 -3.18 0.04 0.00 0.01 0.00 0.00 42.46 39.16 3eky s ILE 66 CO 0.11 -0.29 0.61 0.00 0.00 0.00 0.00 174.94 175.36 3eky n GLY 68 N -1.77 0.79 3.26 0.00 0.00 -1.26 -5.03 105.19 101.18 3eky n GLY 68 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 3eky n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3eky s HIS 69 N -3.01 2.76 0.14 1.61 4.02 -0.48 -5.11 115.29 115.23 3eky s HIS 69 Ca 0.00 -1.02 -0.28 0.00 1.02 0.00 0.00 55.06 54.78 3eky s HIS 69 Cb 0.00 -1.87 -0.07 0.00 -1.02 0.00 0.00 32.58 29.63 3eky s HIS 69 CO 0.00 -0.45 0.88 0.15 1.02 0.00 0.00 174.74 176.33 3eky s LYS 70 N 0.73 4.67 0.06 1.40 1.02 -1.26 -0.23 119.74 126.13 3eky s LYS 70 Ca -0.07 1.32 0.02 0.00 0.02 0.00 0.00 55.97 57.26 3eky s LYS 70 Cb -0.16 -3.33 -0.03 0.00 -0.52 0.00 0.00 37.83 33.80 3eky s LYS 70 CO 0.01 0.38 -0.07 0.00 -0.92 0.00 0.00 175.35 174.75 3eky s ALA 71 N -0.54 0.67 -0.13 5.17 0.00 0.05 -4.73 121.76 122.26 3eky s ALA 71 Ca 0.41 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 51.40 3eky s ALA 71 Cb -0.23 0.09 0.05 0.00 0.00 0.00 0.00 23.12 23.02 3eky s ALA 71 CO 0.28 -0.10 0.05 0.42 0.00 0.00 0.00 175.76 176.41 3eky s ILE 72 N -2.13 0.21 0.00 0.00 1.01 -1.26 -0.72 121.20 118.31 3eky s ILE 72 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.52 3eky s ILE 72 Cb -0.05 -0.62 0.00 0.00 0.01 0.00 0.00 42.46 41.80 3eky s ILE 72 CO -0.02 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.50 3eky n GLY 73 N 5.18 1.79 3.72 6.18 0.00 -0.70 -4.77 105.19 116.58 3eky n GLY 73 Ca -0.07 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 3eky n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3eky s THR 74 N -2.67 4.32 -0.10 2.61 2.01 -1.26 -0.83 115.64 119.71 3eky s THR 74 Ca 0.00 1.72 0.01 0.00 0.31 0.00 0.00 61.69 63.73 3eky s THR 74 Cb 0.00 -4.10 0.02 0.00 0.01 0.00 0.00 72.50 68.43 3eky s THR 74 CO 0.00 0.17 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.31 3eky s VAL 75 N 0.79 1.13 -0.06 3.82 1.01 0.07 -4.48 120.40 122.68 3eky s VAL 75 Ca 0.54 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 3eky s VAL 75 Cb -0.26 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.97 3eky s VAL 75 CO 0.30 0.37 0.28 -0.76 0.00 0.00 0.00 175.10 175.29 3eky s LEU 76 N 1.32 4.43 -0.11 3.92 1.43 0.07 -1.00 118.68 128.73 3eky s LEU 76 Ca -0.02 0.72 0.02 0.00 -1.03 0.00 0.00 54.13 53.82 3eky s LEU 76 Cb -0.14 -2.34 0.01 0.00 0.03 0.00 0.00 46.19 43.76 3eky s LEU 76 CO -0.04 0.35 -0.18 -0.69 0.23 0.00 0.00 176.35 176.02 3eky s VAL 77 N -0.98 1.68 -0.00 -1.59 1.01 -0.17 -0.01 120.40 120.34 3eky s VAL 77 Ca 0.19 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 3eky s VAL 77 Cb -0.14 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.73 3eky s VAL 77 CO 0.09 0.48 0.06 0.61 0.00 0.00 0.00 175.10 176.33 3eky n GLY 78 N 4.09 0.56 2.07 4.51 0.00 -0.60 0.13 105.19 115.95 3eky n GLY 78 Ca -0.19 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 3eky n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3eky n PRO 79 N -0.04 1.99 -2.28 1.61 -0.04 -1.26 -2.75 135.00 132.23 3eky n PRO 79 Ca 0.00 -1.03 -0.39 0.00 -0.04 0.00 0.00 63.50 62.04 3eky n PRO 79 Cb 0.03 -2.03 -0.02 0.00 -0.04 0.00 0.00 33.50 31.43 3eky n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3eky s THR 80 N 1.28 3.10 0.38 0.52 -1.32 -1.26 -4.95 115.64 113.39 3eky s THR 80 Ca 0.62 0.99 0.36 0.00 -1.21 0.00 0.00 61.69 62.45 3eky s THR 80 Cb 0.28 -3.59 0.38 0.00 -1.51 0.00 0.00 72.50 68.07 3eky s THR 80 CO -0.01 0.15 2.14 -0.65 -2.21 0.00 0.00 174.62 174.05 3eky h PRO 81 N 2.98 0.00 -2.80 7.08 0.11 -1.98 -3.44 132.00 133.95 3eky h PRO 81 Ca -0.48 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 3eky h PRO 81 Cb 1.23 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.13 3eky h PRO 81 CO 0.64 0.04 -0.18 0.54 -0.21 0.00 0.00 178.00 178.82 3eky s VAL 82 N -3.98 0.04 0.09 3.15 0.11 -1.26 -5.10 120.40 113.46 3eky s VAL 82 Ca -0.02 -0.31 -0.31 0.00 -2.93 0.00 0.00 61.98 58.41 3eky s VAL 82 Cb 0.11 -0.68 -0.08 0.00 -1.53 0.00 0.00 36.38 34.21 3eky s VAL 82 CO 0.51 -0.17 1.52 0.20 -3.33 0.00 0.00 175.10 173.83 3eky s ASN 83 N -1.05 6.70 -0.12 3.54 0.01 -1.26 -4.69 114.94 118.07 3eky s ASN 83 Ca -0.11 2.41 0.02 0.00 -0.71 0.00 0.00 52.86 54.47 3eky s ASN 83 Cb -0.04 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.06 3eky s ASN 83 CO 0.05 -0.79 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.06 3eky s ILE 84 N 1.86 1.56 -0.39 0.60 1.01 0.49 -0.19 121.20 126.14 3eky s ILE 84 Ca 0.69 -0.67 -0.16 0.00 0.00 0.00 0.00 60.65 60.50 3eky s ILE 84 Cb -0.39 -1.43 0.01 0.00 0.01 0.00 0.00 42.46 40.66 3eky s ILE 84 CO 0.30 0.45 0.40 -0.63 0.00 0.00 0.00 174.94 175.47 3eky s ILE 85 N 1.06 5.13 0.57 2.92 -1.09 0.60 -1.69 121.20 128.71 3eky s ILE 85 Ca -0.05 -0.25 0.03 0.00 -2.23 0.00 0.00 60.65 58.15 3eky s ILE 85 Cb -0.15 -3.95 0.11 0.00 -1.58 0.00 0.00 42.46 36.89 3eky s ILE 85 CO -0.03 -0.30 0.78 0.61 -1.23 0.00 0.00 174.94 174.77 3eky n GLY 86 N 5.06 1.12 0.27 6.18 0.00 -1.20 -1.18 105.19 115.45 3eky n GLY 86 Ca -0.08 -2.09 0.11 0.00 0.00 0.00 0.00 46.02 43.96 3eky n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3eky h ARG 87 N 0.00 0.00 -0.55 1.61 3.08 -0.91 -1.36 114.38 116.25 3eky h ARG 87 Ca -0.26 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.83 3eky h ARG 87 Cb 1.03 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.05 3eky h ARG 87 CO 0.31 0.03 0.36 -2.95 -1.07 0.00 0.00 179.97 176.65 3eky h ASN 88 N 0.00 0.50 0.02 7.04 -1.07 -1.80 -2.24 115.58 118.04 3eky h ASN 88 Ca -0.00 -0.00 -0.35 0.00 0.07 0.00 0.00 56.30 56.01 3eky h ASN 88 Cb 0.05 -0.11 -0.07 0.00 -2.07 0.00 0.00 38.32 36.12 3eky h ASN 88 CO 0.00 0.34 -2.35 0.18 0.07 0.00 0.00 177.43 175.67 3eky n LEU 89 N -4.47 0.03 -0.35 6.14 4.77 -0.69 -4.08 117.00 118.35 3eky n LEU 89 Ca 0.07 0.02 0.01 0.00 -0.03 0.00 0.00 56.01 56.07 3eky n LEU 89 Cb 0.18 0.47 0.16 0.00 -2.33 0.00 0.00 43.42 41.90 3eky n LEU 89 CO 0.35 0.48 1.28 -0.07 -1.33 0.00 0.00 177.39 178.09 3eky h LEU 90 N 0.00 1.06 -0.96 2.23 3.38 -1.19 -1.74 115.31 118.10 3eky h LEU 90 Ca -0.52 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.39 3eky h LEU 90 Cb 2.19 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.67 3eky h LEU 90 CO 0.03 0.72 0.15 0.71 0.09 0.00 0.00 178.44 180.14 3eky h THR 91 N 1.23 1.24 -0.20 0.22 1.35 -1.60 -0.94 112.91 114.20 3eky h THR 91 Ca 0.39 -0.85 -0.04 0.00 -0.55 0.00 0.00 66.41 65.36 3eky h THR 91 Cb 0.01 0.63 -0.01 0.00 -1.73 0.00 0.00 68.15 67.04 3eky h THR 91 CO -0.12 0.32 -0.05 1.56 -0.25 0.00 0.00 175.52 176.98 3eky h GLN 92 N 0.87 0.30 -0.36 4.72 4.20 -1.48 -2.24 115.11 121.13 3eky h GLN 92 Ca 0.19 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3eky h GLN 92 Cb 0.31 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3eky h GLN 92 CO -0.00 0.38 0.00 0.44 -0.67 0.00 0.00 178.83 178.97 3eky n ILE 93 N -4.32 0.46 -2.03 2.54 -5.35 -0.95 -4.93 119.36 104.78 3eky n ILE 93 Ca -0.00 -0.60 -0.03 0.00 -0.27 0.00 0.00 62.75 61.85 3eky n ILE 93 Cb 0.23 0.60 -0.00 0.00 -1.74 0.00 0.00 39.64 38.72 3eky n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3eky n GLY 94 N 1.33 0.25 3.74 3.28 0.00 -0.84 -5.01 105.19 107.94 3eky n GLY 94 Ca 0.18 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 3eky n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3eky s THR 96 N -0.59 0.48 -0.05 0.00 -4.23 -1.26 -4.67 115.64 105.32 3eky s THR 96 Ca 0.44 -1.88 -0.12 0.00 -1.18 0.00 0.00 61.69 58.95 3eky s THR 96 Cb -0.25 -1.62 -0.05 0.00 1.34 0.00 0.00 72.50 71.93 3eky s THR 96 CO 0.31 -0.93 0.30 -0.76 -0.54 0.00 0.00 174.62 173.00 3eky s LEU 97 N -2.99 4.44 -0.01 4.79 1.43 -1.26 -5.10 118.68 119.98 3eky s LEU 97 Ca 0.10 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 3eky s LEU 97 Cb 0.06 -2.38 0.01 0.00 0.03 0.00 0.00 46.19 43.91 3eky s LEU 97 CO -0.07 0.35 -0.00 0.20 0.23 0.00 0.00 176.35 177.06 3eky s ASN 98 N -1.02 0.16 0.00 2.29 0.01 -1.26 -5.29 114.94 109.83 3eky s ASN 98 Ca 0.20 -0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.34 3eky s ASN 98 Cb -0.15 -0.06 0.00 0.00 0.41 0.00 0.00 41.25 41.46 3eky s ASN 98 CO 0.10 -0.03 0.00 2.22 -1.51 0.00 0.00 177.10 177.87